姓名:王泰然
职称:特任研究员
单位:中国科学技术大学
邮箱:wtr@ustc.edu.cn
主要从事人工智能驱动的理论与计算催化研究，聚焦多相催化与界面化学，发展可迁移、可解释的催化机器学习方法以及科学大语言模型与智能体，致力于从复杂化学数据中提炼可计算、可预测的物理化学规律，并用于催化剂的理性设计。
已发表学术论文18篇，代表性成果包括：（1）建立金属—载体相互作用的定量理论，揭示载体包覆的物理机制并提出判据，以第一作者发表于Science（2）发展跨化学空间可迁移的分子性质预测方法，支撑复杂反应动力学建模；（3）发展化学知识增强的科学大模型推理、生成与评价方法，成果发表于Nat. Comput. Sci.、ACM TOIS、Commun. Chem.等期刊。
1. Tairan Wang#, Jianyu Hu#, Runhai Ouyang#, Yutao Wang, Yi Huang, Sulei Hu, Wei-Xue Li*. Nature of metal-support interaction for metal catalysts on oxide supports. Science, 2024, 386, 915-920.
2. Xiuying Chen#*, Tairan Wang#, Juexiao Zhou, Zirui Song, Xin Gao*, Xiangliang Zhang*. Evaluating and mitigating bias in AI-based medical text generation. Nature Computational Science, 2025, 5, 388-396.
3. Tairan Wang*, Sirio Brunialti, Qi Wang, Xiuying Chen, S. Mani Sarathy*. DeepTherm: A unified deep learning approach to thermochemistry prediction for gas-phase molecules. Energy and AI, 2026, 24, 100677.
4. Tairan Wang, Xiuying Chen*, Qingqing Zhu, Taicheng Guo, Shen Gao, Zhiyong Lu, Xin Gao*, Xiangliang Zhang*. New paradigm for evaluating scholar summaries: A facet-aware metric and a meta-evaluation benchmark. ACM Transactions on Information Systems, 2025, 43(4), 100.
5. Xiuying Chen#*, Tairan Wang#, Taicheng Guo, Kehan Guo, Juexiao Zhou, Haoyang Li, Zirui Song, Xin Gao, Xiangliang Zhang. Unveiling the power of language models in chemical research question answering. Communications Chemistry, 2025, 8, 4.